Description

Cluster pairlist type for use on CPUs.

Public Attributes
gmx_cache_protect_t	cp0
	Cache protection.

int	na_ci
	The number of atoms per i-cluster.

int	na_cj
	The number of atoms per j-cluster.

real	rlist
	The radius for constructing the list.

FastVector< nbnxn_ci_t >	ci
	The i-cluster list.

FastVector< nbnxn_ci_t >	ciOuter
	The outer, unpruned i-cluster list.

FastVector< nbnxn_cj_t >	cj
	The j-cluster list, size ncj.

FastVector< nbnxn_cj_t >	cjOuter
	The outer, unpruned j-cluster list.

int	ncjInUse
	The number of j-clusters that are used by ci entries in this list, will be <= cj.size()

int	nci_tot
	The total number of i clusters.

std::unique_ptr < NbnxnPairlistCpuWork >	work
	Working data storage for list construction.

gmx_cache_protect_t	cp1
	Cache protection.

The documentation for this struct was generated from the following files:

Public Attributes